![[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl-trihydroxyboranuide structure](/static/products/240/24006-21-1.png)
[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl-trihydroxyboranuide
TL;DR: [[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl-trihydroxyboranuide (CAS 24006-21-1) is a chemical compound with molecular formula C12H13BClN2O5- and molecular weight 311.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl-trihydroxyboranuide
Also Known As: [[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl-trihydroxyboranuide|[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl-trihydroxy-boron|N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID
| Molecular Formula | C12H13BClN2O5- |
|---|---|
| Molecular Weight | 311.06 g/mol |
| LogP | 0.48822 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.0606 |
| Heavy Atoms | 21 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 24006-21-1 |
|---|---|
| SMILES | [B-](CNC(=O)C1=C(ON=C1C2=CC=CC=C2Cl)C)(O)(O)O |
| InChIKey | WENFRSKDOWRTHV-UHFFFAOYSA-N |
Product Overview
[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl-trihydroxyboranuide (CAS 24006-21-1), with molecular formula C12H13BClN2O5- and molecular weight 311.06 g/mol. IUPAC: [[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl-trihydroxyboranuide.
Chemical Property Profile of [[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl-trihydroxyboranuide
Property Insights of [[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl-trihydroxyboranuide
The XLogP value of 0.48822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl-trihydroxyboranuide. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl-trihydroxyboranuide. Following Lipinski's Rule of Five, [[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl-trihydroxyboranuide has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl-trihydroxyboranuide?
The CAS number of [[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl-trihydroxyboranuide is 24006-21-1.
What is the molecular formula of [[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl-trihydroxyboranuide?
The molecular formula of [[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl-trihydroxyboranuide is C12H13BClN2O5-.
What is the molecular weight of [[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl-trihydroxyboranuide?
The molecular weight of [[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl-trihydroxyboranuide is 311.06 g/mol.
Where can I buy [[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl-trihydroxyboranuide?
You can request a quote for [[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl-trihydroxyboranuide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl-trihydroxyboranuide?
Yes, KEHONG BIO provides custom synthesis services for [[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl-trihydroxyboranuide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.